F989-0085 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide

F989-0085 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide
F989-0085 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F989-0085
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F989-0085

Molecular Formula

C19H15N5O3S (C19 H15 N5 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[124]triazolo[43-a]quinoxalin-4-ylsulfanyl}acetamide

SMILES

O=C(CSc1nc(cccc2)c2n2c1nnc2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H15N5O3S/c25-17(20-8-12-5-6-15-16(7-12)27-11-26-15)9-28-19-18-23-21-10-24(18)14-4-2-1-3-13(14)22-19/h1-7,10H,8-9,11H2,(H,20,25)

InChI Key

WQWOIERRTVBXSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.81

Polar Surface Area

71.973

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F989-0085 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with F989-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F989-0085?
Check Price and Availability of F989-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F989-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F989-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F989-0085
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F989-0085 available by request